⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12684729 | 0.81 | — | — | |
| SCHEMBL3325656 | 0.81 | PDK1 (0.32) | — | |
| SCHEMBL14169479 | 0.79 | NOS1 (0.38) | — | |
| SCHEMBL1832089 | 0.75 | NOS1 (0.41) | — | |
| SCHEMBL14635516 | 0.75 | — | — | |
| SCHEMBL3327529 | 0.75 | — | — | |
| SCHEMBL8554141 | 0.75 | — | — | |
| SCHEMBL24600159 | 0.73 | — | — | |
| SCHEMBL14101108 | 0.73 | — | — | |
| SCHEMBL2730971 | 0.72 | NPC1 (0.44) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824523-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | disclosed |